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87779-37-1 | 5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-chloro-7-(chloromethyl)-
CAS No: 87779-37-1 Catalog No: AG004IBG MDL No:
Product Description
Catalog Number:
AG004IBG
Chemical Name:
5H-Thiazolo[3,2-a]pyrimidin-5-one, 6-chloro-7-(chloromethyl)-
CAS Number:
87779-37-1
Molecular Formula:
C7H4Cl2N2OS
Molecular Weight:
235.0905
IUPAC Name:
6-chloro-7-(chloromethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
InChI:
InChI=1S/C7H4Cl2N2OS/c8-3-4-5(9)6(12)11-1-2-13-7(11)10-4/h1-2H,3H2
InChI Key:
RSXWURCEIJKEAK-UHFFFAOYSA-N
SMILES:
ClCc1nc2sccn2c(=O)c1Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.942g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.082g/mol
Monoisotopic Mass:
233.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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